Comparison of Intermolecular Interactions in Dimeric Bismuth(III) Thioamides with Hirshfeld Surface Analysis

OpenAlex İngilizce

Hirshfeld surface analysis is a very useful method for examining the intermolecular interactions that form the lattice within a crystal.The percentage of intermolecular interactions can be determined with the twodimensional fingerprint graphics obtained.In this work, four dimeric bismuth(III) halide-thioamide complexes {[BiCl3(µ2-S-PYT)(PYT)]2} (1), {[BiBr2(µ2-Br)(tHPMT)2.CH3CN]2} (2), {[BiBr2(µ2-Br)(PYT)2]2.CH3CN} (3) and {[BiI2(µ2-I)(MBZIM)2]2} (4), previously synthesized and characterized, were selected (PYT: 2-mercaptopyridine, tHPMT: 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and MBZIM: 2mercaptobenzimidazole).To determine of intermolecular interactions of complexes 1-4 Crystal Explorer ver.21.5 used.According to the obtained hirshfeld surfaces, it was determined that the interactions that gave the most contribution to the dimeric bismuth(III) halide complexes 1-4 were X … H/H … X (X: Cl, Br or I) and H … H contacts.